2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H33FN4OS MolecularWeight: 420.587023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H33FN4OS/c23-18-9-11-20(12-10-18)24-21(28)17-26-13-6-14-27(16-15-26)22(29)25-19-7-4-2-1-3-5-8-19/h9-12,19H,1-8,13-17H2,(H,24,28)(H,25,29)